CID 343801

7402-67-7

Structural Information

Molecular Formula

C₁₂H₉ClO₃S

SMILES

C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H9ClO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H

InChIKey

LFASIQLVFCSCCU-UHFFFAOYSA-N

Compound name

4-(4-chlorophenyl)sulfonylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 615
Patents: 267.9961 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	269.00338	155.4
[M+Na]+	290.98532	170.5
[M+NH4]+	286.02992	164.2
[M+K]+	306.95926	161.5
[M-H]-	266.98882	158.8
[M+Na-2H]-	288.97077	164.2
[M]+	267.99555	159.5
[M]-	267.99665	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe